N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide

C14H18FNO2 — CID 139618712

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-3-4-5-14(18)16(2)10-13(17)11-6-8-12(15)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyOHTZUYNRZLSKCJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide (PubChem CID 139618712) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide
PubChem CID139618712
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-3-4-5-14(18)16(2)10-13(17)11-6-8-12(15)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyOHTZUYNRZLSKCJ-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide (CID 139618712) is N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide is CCCCC(=O)N(C)CC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is OHTZUYNRZLSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-5-14(18)16(2)10-13(17)11-6-8-12(15)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 251.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 139618712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).